N-[[3-(2-propan-2-yloxyethyl)oxolan-3-yl]methyl]propan-1-amine

C13H27NO2 — CID 62719201

IUPACN-[[3-(2-propan-2-yloxyethyl)oxolan-3-yl]methyl]propan-1-amine
SMILESCCCNCC1(CCOC(C)C)CCOC1
InChIInChI=1S/C13H27NO2/c1-4-7-14-10-13(5-8-15-11-13)6-9-16-12(2)3/h12,14H,4-11H2,1-3H3
InChIKeyBDGMRUZDUAKCFC-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.21
Rot. Bonds8

About N-[[3-(2-propan-2-yloxyethyl)oxolan-3-yl]methyl]propan-1-amine

N-[[3-(2-propan-2-yloxyethyl)oxolan-3-yl]methyl]propan-1-amine (PubChem CID 62719201) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is N-[[3-(2-propan-2-yloxyethyl)oxolan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-(2-propan-2-yloxyethyl)oxolan-3-yl]methyl]propan-1-amine
PubChem CID62719201
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC NameN-[[3-(2-propan-2-yloxyethyl)oxolan-3-yl]methyl]propan-1-amine
SMILESCCCNCC1(CCOC(C)C)CCOC1
InChIInChI=1S/C13H27NO2/c1-4-7-14-10-13(5-8-15-11-13)6-9-16-12(2)3/h12,14H,4-11H2,1-3H3
InChIKeyBDGMRUZDUAKCFC-UHFFFAOYSA-N
XLogP2.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-propan-2-yloxyethyl)oxolan-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[3-(2-propan-2-yloxyethyl)oxolan-3-yl]methyl]propan-1-amine (CID 62719201) is N-[[3-(2-propan-2-yloxyethyl)oxolan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-(2-propan-2-yloxyethyl)oxolan-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-(2-propan-2-yloxyethyl)oxolan-3-yl]methyl]propan-1-amine is CCCNCC1(CCOC(C)C)CCOC1.
What is the InChIKey of N-[[3-(2-propan-2-yloxyethyl)oxolan-3-yl]methyl]propan-1-amine?
The InChIKey is BDGMRUZDUAKCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-4-7-14-10-13(5-8-15-11-13)6-9-16-12(2)3/h12,14H,4-11H2,1-3H3.
What are the key properties of N-[[3-(2-propan-2-yloxyethyl)oxolan-3-yl]methyl]propan-1-amine?
N-[[3-(2-propan-2-yloxyethyl)oxolan-3-yl]methyl]propan-1-amine has a molecular weight of 229.36 g/mol, XLogP of 2.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-propan-2-yloxyethyl)oxolan-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 62719201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).